[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(4-ethylbenzyl)piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c1-2-21-8-10-22(11-9-21)20-26-14-12-23(13-15-26)25(29)28-18-16-27(17-19-28)24-6-4-3-5-7-24/h3-11,23H,2,12-20H2,1H3/p+1