N-(pentan-3-ylideneamino)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-(pentan-3-ylideneamino)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-(1-ethylpropylideneamino)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-(pentan-3-ylideneamino)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-(pentan-3-ylideneamino)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-(1-ethylpropylideneamino)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC

Isomeric SMILES

CCC(=NNC(=O)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3)CC

InChI

InChI=1S/C23H30N4O/c1-3-21(4-2)24-25-23(28)20-12-10-19(11-13-20)18-26-14-16-27(17-15-26)22-8-6-5-7-9-22/h5-13H,3-4,14-18H2,1-2H3,(H,25,28)/p+1