4-(1-adamantylmethyl)-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1-adamantylmethyl)-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1-adamantylmethyl)-N-(p-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1-adamantylmethyl)-N-(4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1-adamantylmethyl)-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(1-adamantylmethyl)-N-(p-tolyl)piperazin-4-ium-1-carboxamide Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O/c1-17-2-4-21(5-3-17)24-22(27)26-8-6-25(7-9-26)16-23-13-18-10-19(14-23)12-20(11-18)15-23/h2-5,18-20H,6-16H2,1H3,(H,24,27)/p+1