N-(3-azanyl-4-ethyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-ethyl-phenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-ethyl-phenyl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(3-amino-4-ethylphenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-ethylphenyl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(3-amino-4-ethyl-phenyl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H29N3O/c1-2-19-8-9-20(15-21(19)23)24-22(26)16-25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16,23H2,1H3,(H,24,26)/p+1