(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(3-chloro-4-isopropoxy-5-methoxy-phenyl)methanone CAS Name: (3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(3-chloro-4-isopropoxy-5-methoxy-phenyl)methanone Formula: C23H30ClN2O3+ MolecularWeight: 417.9489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H29ClN2O3/c1-17(2)29-22-20(24)14-19(15-21(22)28-3)23(27)26-11-7-10-25(12-13-26)16-18-8-5-4-6-9-18/h4-6,8-9,14-15,17H,7,10-13,16H2,1-3H3/p+1