1-[(E)-[(4-methanoylphenyl)-pyrrolidin-1-yl-methylidene]amino]-1-(1-phenylethyl)guanidine hydrochloride

Systemtic Name: 1-[(E)-[(4-methanoylphenyl)-pyrrolidin-1-yl-methylidene]amino]-1-(1-phenylethyl)guanidine hydrochloride Openeye Name: 1-[(E)-[(4-formylphenyl)-pyrrolidin-1-yl-methylene]amino]-1-(1-phenylethyl)guanidine hydrochloride CAS Name: 1-[(E)-[(4-formylphenyl)-(1-pyrrolidinyl)methylidene]amino]-1-(1-phenylethyl)guanidine hydrochloride IUPAC Name: 1-[(E)-[(4-formylphenyl)-pyrrolidin-1-ylmethylidene]amino]-1-(1-phenylethyl)guanidine hydrochloride Traditional Name: 1-[(E)-[(4-formylphenyl)-pyrrolidino-methylene]amino]-1-(1-phenylethyl)guanidine hydrochloride Formula: C21H26ClN5O MolecularWeight: 399.91704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C(=N)N)N=C(C2=CC=C(C=C2)C=O)N3CCCC3.Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N(C(=N)N)/N=C(\C2=CC=C(C=C2)C=O)/N3CCCC3.Cl

InChI

InChI=1S/C21H25N5O.ClH/c1-16(18-7-3-2-4-8-18)26(21(22)23)24-20(25-13-5-6-14-25)19-11-9-17(15-27)10-12-19;/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H3,22,23);1H/b24-20+;