N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-methyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-methyl-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-methylbenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylbenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methyl-benzamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(=O)N2CC[NH+](CC2)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(=O)N2CC[NH+](CC2)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35N3O2/c1-17-3-5-21(6-4-17)23(29)26-22(24(30)28-9-7-27(2)8-10-28)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-6,18-20,22H,7-16H2,1-2H3,(H,26,29)/p+1/t18?,19?,20?,22-,25?/m1/s1