3-[3-azanyl-4-(4-methylpiperidin-1-yl)phenyl]propyl-[(2S)-butan-2-yl]azanium

Systemtic Name: 3-[3-azanyl-4-(4-methylpiperidin-1-yl)phenyl]propyl-[(2S)-butan-2-yl]azanium Openeye Name: 3-[3-amino-4-(4-methyl-1-piperidyl)phenyl]propyl-[(1S)-1-methylpropyl]ammonium CAS Name: 3-[3-amino-4-(4-methyl-1-piperidinyl)phenyl]propyl-[(2S)-butan-2-yl]ammonium IUPAC Name: 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]propyl-[(2S)-butan-2-yl]azanium Traditional Name: 3-[3-amino-4-(4-methylpiperidino)phenyl]propyl-[(1S)-1-methylpropyl]ammonium Formula: C19H34N3+ MolecularWeight: 304.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCCC1=CC(=C(C=C1)N2CCC(CC2)C)N

Isomeric SMILES

CC[C@H](C)[NH2+]CCCC1=CC(=C(C=C1)N2CCC(CC2)C)N

InChI

InChI=1S/C19H33N3/c1-4-16(3)21-11-5-6-17-7-8-19(18(20)14-17)22-12-9-15(2)10-13-22/h7-8,14-16,21H,4-6,9-13,20H2,1-3H3/p+1/t16-/m0/s1