3-(4-phenylpiperazin-1-ium-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-N-[(1-propyl-4-piperidin-1-iumylidene)amino]propanamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]propionamide Formula: C21H35N5O+2 MolecularWeight: 373.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)CC1

InChI

InChI=1S/C21H33N5O/c1-2-11-24-12-8-19(9-13-24)22-23-21(27)10-14-25-15-17-26(18-16-25)20-6-4-3-5-7-20/h3-7H,2,8-18H2,1H3,(H,23,27)/p+2