N-(cyclohexylideneamino)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(cyclohexylideneamino)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(cyclohexylideneamino)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(cyclohexylideneamino)-2-[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclohexylideneamino)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(cyclohexylideneamino)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H29N5O+2 MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=O)C[NH+]2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3)CC1

Isomeric SMILES

C1CCC(=NNC(=O)C[NH+]2CCN(CC2)C3=[NH+]C4=CC=CC=C4C=C3)CC1

InChI

InChI=1S/C21H27N5O/c27-21(24-23-18-7-2-1-3-8-18)16-25-12-14-26(15-13-25)20-11-10-17-6-4-5-9-19(17)22-20/h4-6,9-11H,1-3,7-8,12-16H2,(H,24,27)/p+2