2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-benzyl-4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-benzyl-4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-benzyl-piperidin-1-ium-1-yl]acetamide Formula: C25H34N5O2+ MolecularWeight: 436.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)(CC4=CC=CC=C4)CC(=O)N

Isomeric SMILES

C1C[N+](CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)(CC4=CC=CC=C4)CC(=O)N

InChI

InChI=1S/C25H33N5O2/c26-24(31)17-30(16-19-4-2-1-3-5-19)12-9-20(10-13-30)18-32-23-7-6-21-8-11-29(25(27)28)15-22(21)14-23/h1-7,14,20H,8-13,15-18H2,(H4-,26,27,28,31)/p+1