N-[(1R)-1-(1-adamantyl)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CC[NH2+]CC5)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CC[NH2+]CC5)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O2/c1-15(22-12-16-8-17(13-22)10-18(9-16)14-22)24-20-11-19(2-3-21(20)26(27)28)25-6-4-23-5-7-25/h2-3,11,15-18,23-24H,4-10,12-14H2,1H3/p+1/t15-,16?,17?,18?,22?/m1/s1