N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5CC[NH+](CC5)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5CC[NH+](CC5)C)[N+](=O)[O-]

InChI

InChI=1S/C24H34N4O3/c1-16(24-13-17-9-18(14-24)11-19(10-17)15-24)25-23(29)20-3-4-21(22(12-20)28(30)31)27-7-5-26(2)6-8-27/h3-4,12,16-19H,5-11,13-15H2,1-2H3,(H,25,29)/p+1/t16-,17?,18?,19?,24?/m1/s1