1-adamantylmethyl-[(5R)-1-ethyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium

Systemtic Name: 1-adamantylmethyl-[(5R)-1-ethyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[(5R)-1-ethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[(5R)-1-ethyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydroindazol-5-yl]-methylammonium IUPAC Name: 1-adamantylmethyl-[(5R)-1-ethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methylazanium Traditional Name: 1-adamantylmethyl-[(5R)-1-ethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium Formula: C27H45N5O+2 MolecularWeight: 455.6791

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](C)CC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CC[NH+](CC6)C

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+](C)CC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CC[NH+](CC6)C

InChI

InChI=1S/C27H43N5O/c1-4-32-24-6-5-22(14-23(24)25(28-32)26(33)31-9-7-29(2)8-10-31)30(3)18-27-15-19-11-20(16-27)13-21(12-19)17-27/h19-22H,4-18H2,1-3H3/p+2/t19?,20?,21?,22-,27?/m1/s1