7-[[1-[(2-nitrophenyl)methyl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride

Systemtic Name: 7-[[1-[(2-nitrophenyl)methyl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride Openeye Name: 7-[[1-[(2-nitrophenyl)methyl]-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine dihydrochloride CAS Name: 7-[[1-[(2-nitrophenyl)methyl]-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride IUPAC Name: 7-[[1-[(2-nitrophenyl)methyl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride Traditional Name: 7-[[1-(2-nitrobenzyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxamidine dihydrochloride Formula: C23H31Cl2N5O3 MolecularWeight: 496.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC4=CC=CC=C4[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC4=CC=CC=C4[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C23H29N5O3.2ClH/c24-23(25)27-12-9-18-5-6-21(13-20(18)15-27)31-16-17-7-10-26(11-8-17)14-19-3-1-2-4-22(19)28(29)30;;/h1-6,13,17H,7-12,14-16H2,(H3,24,25);2*1H