4-[bis(azanyl)methylideneamino]butyl-(2-methylindol-1-yl)-oxidanyl-(2-oxidanylpropyl)azanium

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl-(2-methylindol-1-yl)-oxidanyl-(2-oxidanylpropyl)azanium Openeye Name: 4-guanidinobutyl-hydroxy-(2-hydroxypropyl)-(2-methylindol-1-yl)ammonium CAS Name: 4-(diaminomethylideneamino)butyl-hydroxy-(2-hydroxypropyl)-(2-methyl-1-indolyl)ammonium IUPAC Name: 4-(diaminomethylideneamino)butyl-hydroxy-(2-hydroxypropyl)-(2-methylindol-1-yl)azanium Traditional Name: 4-guanidinobutyl-hydroxy-(2-hydroxypropyl)-(2-methylindol-1-yl)ammonium Formula: C17H28N5O2+ MolecularWeight: 334.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1[N+](CCCCN=C(N)N)(CC(C)O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2N1[N+](CCCCN=C(N)N)(CC(C)O)O

InChI

InChI=1S/C17H28N5O2/c1-13-11-15-7-3-4-8-16(15)21(13)22(24,12-14(2)23)10-6-5-9-20-17(18)19/h3-4,7-8,11,14,23-24H,5-6,9-10,12H2,1-2H3,(H4,18,19,20)/q+1