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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-aniline Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-aniline CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-(4-ethyl-1-piperazin-4-iumyl)-2-nitroaniline IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-(4-ethylpiperazin-4-ium-1-yl)-2-nitroaniline Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]amine Formula: C24H37N4O2+ MolecularWeight: 413.57618

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N[C@H](C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H36N4O2/c1-3-26-6-8-27(9-7-26)21-4-5-23(28(29)30)22(13-21)25-17(2)24-14-18-10-19(15-24)12-20(11-18)16-24/h4-5,13,17-20,25H,3,6-12,14-16H2,1-2H3/p+1/t17-,18?,19?,20?,24?/m1/s1