3-azanyl-N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-(azepan-4-yl)-4-oxidanylidene-butanamide hydrochloride

Systemtic Name: 3-azanyl-N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-(azepan-4-yl)-4-oxidanylidene-butanamide hydrochloride Openeye Name: 3-amino-N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-2-(azepan-4-yl)-4-oxo-butanamide hydrochloride CAS Name: 3-amino-N-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-2-(4-azepanyl)-4-oxobutanamide hydrochloride IUPAC Name: 3-amino-N-(2-amino-2-imino-1-piperidin-3-ylethyl)-2-(azepan-4-yl)-4-oxobutanamide hydrochloride Traditional Name: 3-amino-N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-2-(azepan-4-yl)-4-keto-butyramide hydrochloride Formula: C17H33ClN6O2 MolecularWeight: 388.93592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C(C(C=O)N)C(=O)NC(C2CCCNC2)C(=N)N.Cl

Isomeric SMILES

C1CC(CCNC1)C(C(C=O)N)C(=O)NC(C2CCCNC2)C(=N)N.Cl

InChI

InChI=1S/C17H32N6O2.ClH/c18-13(10-24)14(11-3-1-6-21-8-5-11)17(25)23-15(16(19)20)12-4-2-7-22-9-12;/h10-15,21-22H,1-9,18H2,(H3,19,20)(H,23,25);1H