3-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(1-methyl-3-indolyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H36N4O+2 MolecularWeight: 384.55814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C23H34N4O/c1-24-12-14-27(15-13-24)23(28)10-9-19-6-5-11-26(16-19)18-20-17-25(2)22-8-4-3-7-21(20)22/h3-4,7-8,17,19H,5-6,9-16,18H2,1-2H3/p+2/t19-/m1/s1