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

Systemtic Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]azepane Openeye Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]azepane CAS Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]azepane IUPAC Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]azepane Traditional Name: 1-[1-(4-ethylbenzyl)piperidin-1-ium-4-yl]azepane Formula: C20H33N2+ MolecularWeight: 301.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3CCCCCC3

InChI

InChI=1S/C20H32N2/c1-2-18-7-9-19(10-8-18)17-21-15-11-20(12-16-21)22-13-5-3-4-6-14-22/h7-10,20H,2-6,11-17H2,1H3/p+1